CID 48069

66827-31-4

Structural Information

Molecular Formula
C34H66N2
SMILES
CC1=C(C(CCC1)(C)C)CCC(C)[N+](C)(C)CCCC[N+](C)(C)C(C)CCC2=C(CCCC2(C)C)C
InChI
InChI=1S/C34H66N2/c1-27-17-15-23-33(5,6)31(27)21-19-29(3)35(9,10)25-13-14-26-36(11,12)30(4)20-22-32-28(2)18-16-24-34(32,7)8/h29-30H,13-26H2,1-12H3/q+2
InChIKey
SNJDLBPENWHJOQ-UHFFFAOYSA-N
Compound name
4-[dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azaniumyl]butyl-dimethyl-[4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.5226 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.52988 224.5
[M+Na]+ 525.51182 223.1
[M-H]- 501.51532 230.7
[M+NH4]+ 520.55642 236.4
[M+K]+ 541.48576 209.5
[M+H-H2O]+ 485.51986 222.7
[M+HCOO]- 547.52080 235.1
[M+CH3COO]- 561.53645 250.0
[M+Na-2H]- 523.49727 225.3
[M]+ 502.52205 223.8
[M]- 502.52315 223.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.